protein engineering task
TourSynbio: A Multi-Modal Large Model and Agent Framework to Bridge Text and Protein Sequences for Protein Engineering
Shen, Yiqing, Chen, Zan, Mamalakis, Michail, Liu, Yungeng, Li, Tianbin, Su, Yanzhou, He, Junjun, Liò, Pietro, Wang, Yu Guang
The structural similarities between protein sequences and natural languages have led to parallel advancements in deep learning across both domains. While large language models (LLMs) have achieved much progress in the domain of natural language processing, their potential in protein engineering remains largely unexplored. Previous approaches have equipped LLMs with protein understanding capabilities by incorporating external protein encoders, but this fails to fully leverage the inherent similarities between protein sequences and natural languages, resulting in sub-optimal performance and increased model complexity. To address this gap, we present TourSynbio-7B, the first multi-modal large model specifically designed for protein engineering tasks without external protein encoders. TourSynbio-7B demonstrates that LLMs can inherently learn to understand proteins as language. The model is post-trained and instruction fine-tuned on InternLM2-7B using ProteinLMDataset, a dataset comprising 17.46 billion tokens of text and protein sequence for self-supervised pretraining and 893K instructions for supervised fine-tuning. TourSynbio-7B outperforms GPT-4 on the ProteinLMBench, a benchmark of 944 manually verified multiple-choice questions, with 62.18% accuracy. Leveraging TourSynbio-7B's enhanced protein sequence understanding capability, we introduce TourSynbio-Agent, an innovative framework capable of performing various protein engineering tasks, including mutation analysis, inverse folding, protein folding, and visualization. TourSynbio-Agent integrates previously disconnected deep learning models in the protein engineering domain, offering a unified conversational user interface for improved usability. Finally, we demonstrate the efficacy of TourSynbio-7B and TourSynbio-Agent through two wet lab case studies on vanilla key enzyme modification and steroid compound catalysis.
ProteinEngine: Empower LLM with Domain Knowledge for Protein Engineering
Shen, Yiqing, Lv, Outongyi, Zhu, Houying, Wang, Yu Guang
Large language models (LLMs) have garnered considerable attention for their proficiency in tackling intricate tasks, particularly leveraging their capacities for zero-shot and in-context learning. However, their utility has been predominantly restricted to general tasks due to an absence of domain-specific knowledge. This constraint becomes particularly pertinent in the realm of protein engineering, where specialized expertise is required for tasks such as protein function prediction, protein evolution analysis, and protein design, with a level of specialization that existing LLMs cannot furnish. In response to this challenge, we introduce \textsc{ProteinEngine}, a human-centered platform aimed at amplifying the capabilities of LLMs in protein engineering by seamlessly integrating a comprehensive range of relevant tools, packages, and software via API calls. Uniquely, \textsc{ProteinEngine} assigns three distinct roles to LLMs, facilitating efficient task delegation, specialized task resolution, and effective communication of results. This design fosters high extensibility and promotes the smooth incorporation of new algorithms, models, and features for future development. Extensive user studies, involving participants from both the AI and protein engineering communities across academia and industry, consistently validate the superiority of \textsc{ProteinEngine} in augmenting the reliability and precision of deep learning in protein engineering tasks. Consequently, our findings highlight the potential of \textsc{ProteinEngine} to bride the disconnected tools for future research in the protein engineering domain.